USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1AGLY N :NH3+ -107:sc= 0.0291 (180deg=0) USER MOD Single : A 1BSER OG : rot 180:sc= 0 USER MOD Single : A 1CMET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 6 TYR OH : rot 0:sc= -0.767 USER MOD Single : A 7 GLN : amide:sc= -0.0843 X(o=-0.084,f=-0.02) USER MOD Single : A 8 TYR OH : rot -137:sc= 0.744 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.0384 (180deg=-0.26) USER MOD Single : A 25 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-4.5!) USER MOD Single : A 31 THR OG1 : rot 148:sc= 0.158 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0269 (180deg=-0.328) USER MOD Single : A 36 SER OG : rot -41:sc= 1.1 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0505 K(o=-0.05,f=-0.57) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.583 X(o=-0.58,f=-0.31) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 60 ASN : amide:sc= -8.1! C(o=-8.1!,f=-8.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 72 THR OG1 : rot -57:sc= 0.576 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0871 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 147:sc= 0.0419 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 20.685 0.407 -16.856 1.00 0.00 N ATOM 2 CA GLY A 1A 19.207 0.549 -16.998 1.00 0.00 C ATOM 3 C GLY A 1A 18.779 2.013 -16.850 1.00 0.00 C ATOM 4 O GLY A 1A 19.399 2.774 -16.131 1.00 0.00 O ATOM 0 H1 GLY A 1A 21.106 0.214 -17.787 1.00 0.00 H new ATOM 0 H2 GLY A 1A 21.083 1.288 -16.472 1.00 0.00 H new ATOM 0 H3 GLY A 1A 20.898 -0.380 -16.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 18.894 0.171 -17.971 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 18.706 -0.058 -16.244 1.00 0.00 H new ATOM 10 N SER A 1B 17.720 2.354 -17.543 1.00 0.00 N ATOM 11 CA SER A 1B 17.228 3.766 -17.552 1.00 0.00 C ATOM 12 C SER A 1B 15.752 3.801 -17.970 1.00 0.00 C ATOM 13 O SER A 1B 15.408 3.378 -19.056 1.00 0.00 O ATOM 14 CB SER A 1B 18.098 4.573 -18.539 1.00 0.00 C ATOM 15 OG SER A 1B 17.526 5.876 -18.582 1.00 0.00 O ATOM 0 H SER A 1B 17.170 1.707 -18.108 1.00 0.00 H new ATOM 0 HA SER A 1B 17.304 4.204 -16.557 1.00 0.00 H new ATOM 0 HB2 SER A 1B 19.135 4.612 -18.205 1.00 0.00 H new ATOM 0 HB3 SER A 1B 18.098 4.113 -19.527 1.00 0.00 H new ATOM 0 HG SER A 1B 18.041 6.439 -19.197 1.00 0.00 H new ATOM 21 N MET A 1C 14.929 4.310 -17.082 1.00 0.00 N ATOM 22 CA MET A 1C 13.455 4.443 -17.342 1.00 0.00 C ATOM 23 C MET A 1C 12.832 3.088 -17.733 1.00 0.00 C ATOM 24 O MET A 1C 11.846 3.022 -18.443 1.00 0.00 O ATOM 25 CB MET A 1C 13.251 5.490 -18.477 1.00 0.00 C ATOM 26 CG MET A 1C 11.866 6.160 -18.342 1.00 0.00 C ATOM 27 SD MET A 1C 11.318 7.192 -19.727 1.00 0.00 S ATOM 28 CE MET A 1C 9.720 7.735 -19.068 1.00 0.00 C ATOM 0 H MET A 1C 15.224 4.647 -16.166 1.00 0.00 H new ATOM 0 HA MET A 1C 12.954 4.775 -16.433 1.00 0.00 H new ATOM 0 HB2 MET A 1C 14.035 6.246 -18.430 1.00 0.00 H new ATOM 0 HB3 MET A 1C 13.335 5.004 -19.449 1.00 0.00 H new ATOM 0 HG2 MET A 1C 11.124 5.377 -18.188 1.00 0.00 H new ATOM 0 HG3 MET A 1C 11.873 6.775 -17.442 1.00 0.00 H new ATOM 0 HE1 MET A 1C 9.231 8.387 -19.792 1.00 0.00 H new ATOM 0 HE2 MET A 1C 9.090 6.866 -18.879 1.00 0.00 H new ATOM 0 HE3 MET A 1C 9.876 8.279 -18.137 1.00 0.00 H new ATOM 38 N SER A 2 13.447 2.045 -17.239 1.00 0.00 N ATOM 39 CA SER A 2 13.008 0.655 -17.574 1.00 0.00 C ATOM 40 C SER A 2 12.015 0.156 -16.523 1.00 0.00 C ATOM 41 O SER A 2 11.878 0.743 -15.465 1.00 0.00 O ATOM 42 CB SER A 2 14.241 -0.272 -17.614 1.00 0.00 C ATOM 43 OG SER A 2 15.278 0.480 -18.234 1.00 0.00 O ATOM 0 H SER A 2 14.247 2.097 -16.608 1.00 0.00 H new ATOM 0 HA SER A 2 12.520 0.652 -18.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.530 -0.580 -16.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.028 -1.181 -18.177 1.00 0.00 H new ATOM 0 HG SER A 2 16.091 -0.064 -18.284 1.00 0.00 H new ATOM 49 N ALA A 3 11.351 -0.920 -16.857 1.00 0.00 N ATOM 50 CA ALA A 3 10.289 -1.472 -15.966 1.00 0.00 C ATOM 51 C ALA A 3 10.104 -2.960 -16.267 1.00 0.00 C ATOM 52 O ALA A 3 9.357 -3.333 -17.149 1.00 0.00 O ATOM 53 CB ALA A 3 8.981 -0.692 -16.219 1.00 0.00 C ATOM 0 H ALA A 3 11.502 -1.445 -17.719 1.00 0.00 H new ATOM 0 HA ALA A 3 10.570 -1.365 -14.918 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.194 -1.083 -15.575 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.139 0.364 -15.999 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.686 -0.805 -17.262 1.00 0.00 H new ATOM 59 N GLU A 4 10.806 -3.764 -15.512 1.00 0.00 N ATOM 60 CA GLU A 4 10.780 -5.244 -15.719 1.00 0.00 C ATOM 61 C GLU A 4 9.466 -5.828 -15.176 1.00 0.00 C ATOM 62 O GLU A 4 8.993 -6.844 -15.647 1.00 0.00 O ATOM 63 CB GLU A 4 11.983 -5.894 -14.982 1.00 0.00 C ATOM 64 CG GLU A 4 13.259 -5.004 -15.010 1.00 0.00 C ATOM 65 CD GLU A 4 13.504 -4.408 -16.413 1.00 0.00 C ATOM 66 OE1 GLU A 4 13.769 -5.199 -17.304 1.00 0.00 O ATOM 67 OE2 GLU A 4 13.411 -3.195 -16.518 1.00 0.00 O ATOM 0 H GLU A 4 11.406 -3.453 -14.748 1.00 0.00 H new ATOM 0 HA GLU A 4 10.850 -5.456 -16.786 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.706 -6.091 -13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.207 -6.857 -15.441 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.157 -4.197 -14.284 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.123 -5.596 -14.709 1.00 0.00 H new ATOM 74 N GLY A 5 8.923 -5.154 -14.193 1.00 0.00 N ATOM 75 CA GLY A 5 7.566 -5.502 -13.672 1.00 0.00 C ATOM 76 C GLY A 5 6.436 -5.037 -14.607 1.00 0.00 C ATOM 77 O GLY A 5 6.664 -4.628 -15.730 1.00 0.00 O ATOM 0 H GLY A 5 9.369 -4.366 -13.723 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.499 -6.581 -13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.430 -5.048 -12.690 1.00 0.00 H new ATOM 81 N TYR A 6 5.245 -5.128 -14.074 1.00 0.00 N ATOM 82 CA TYR A 6 3.984 -4.786 -14.818 1.00 0.00 C ATOM 83 C TYR A 6 3.619 -3.339 -14.490 1.00 0.00 C ATOM 84 O TYR A 6 3.930 -2.860 -13.416 1.00 0.00 O ATOM 85 CB TYR A 6 2.826 -5.741 -14.372 1.00 0.00 C ATOM 86 CG TYR A 6 3.398 -7.031 -13.748 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.222 -7.848 -14.496 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.116 -7.382 -12.438 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.756 -8.992 -13.952 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.653 -8.530 -11.894 1.00 0.00 C ATOM 91 CZ TYR A 6 4.477 -9.341 -12.650 1.00 0.00 C ATOM 92 OH TYR A 6 5.024 -10.489 -12.117 1.00 0.00 O ATOM 0 H TYR A 6 5.084 -5.437 -13.115 1.00 0.00 H new ATOM 0 HA TYR A 6 4.135 -4.904 -15.891 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.186 -5.234 -13.650 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.202 -5.991 -15.230 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.449 -7.586 -15.519 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.473 -6.754 -11.840 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.399 -9.621 -14.550 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.428 -8.796 -10.872 1.00 0.00 H new ATOM 0 HH TYR A 6 5.581 -10.930 -12.792 1.00 0.00 H new ATOM 102 N GLN A 7 2.974 -2.689 -15.427 1.00 0.00 N ATOM 103 CA GLN A 7 2.684 -1.231 -15.271 1.00 0.00 C ATOM 104 C GLN A 7 1.198 -0.934 -15.435 1.00 0.00 C ATOM 105 O GLN A 7 0.446 -1.728 -15.968 1.00 0.00 O ATOM 106 CB GLN A 7 3.486 -0.444 -16.326 1.00 0.00 C ATOM 107 CG GLN A 7 4.980 -0.460 -15.954 1.00 0.00 C ATOM 108 CD GLN A 7 5.807 0.011 -17.155 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.121 1.176 -17.294 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.180 -0.866 -18.047 1.00 0.00 N ATOM 0 H GLN A 7 2.636 -3.106 -16.294 1.00 0.00 H new ATOM 0 HA GLN A 7 2.976 -0.928 -14.266 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.341 -0.886 -17.312 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.125 0.583 -16.381 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.160 0.189 -15.097 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.283 -1.465 -15.661 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.921 -1.846 -17.938 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.731 -0.571 -18.853 1.00 0.00 H new ATOM 119 N TYR A 8 0.842 0.228 -14.950 1.00 0.00 N ATOM 120 CA TYR A 8 -0.583 0.666 -14.932 1.00 0.00 C ATOM 121 C TYR A 8 -0.651 2.145 -15.331 1.00 0.00 C ATOM 122 O TYR A 8 0.330 2.855 -15.236 1.00 0.00 O ATOM 123 CB TYR A 8 -1.157 0.482 -13.513 1.00 0.00 C ATOM 124 CG TYR A 8 -1.249 -1.011 -13.156 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.115 -1.715 -12.796 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.462 -1.673 -13.183 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.188 -3.051 -12.479 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.534 -3.012 -12.862 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.399 -3.711 -12.505 1.00 0.00 C ATOM 130 OH TYR A 8 -1.473 -5.052 -12.184 1.00 0.00 O ATOM 0 H TYR A 8 1.496 0.905 -14.557 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.166 0.069 -15.633 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.524 0.996 -12.789 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.145 0.938 -13.453 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.839 -1.210 -12.763 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.359 -1.138 -13.457 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.709 -3.587 -12.208 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.487 -3.518 -12.890 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.063 -5.508 -12.820 1.00 0.00 H new ATOM 140 N ARG A 9 -1.817 2.553 -15.760 1.00 0.00 N ATOM 141 CA ARG A 9 -2.043 3.962 -16.207 1.00 0.00 C ATOM 142 C ARG A 9 -3.133 4.551 -15.313 1.00 0.00 C ATOM 143 O ARG A 9 -4.255 4.085 -15.333 1.00 0.00 O ATOM 144 CB ARG A 9 -2.501 3.967 -17.690 1.00 0.00 C ATOM 145 CG ARG A 9 -1.383 4.545 -18.587 1.00 0.00 C ATOM 146 CD ARG A 9 -1.862 4.603 -20.057 1.00 0.00 C ATOM 147 NE ARG A 9 -2.679 5.841 -20.253 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.519 5.929 -21.251 1.00 0.00 C ATOM 149 NH1 ARG A 9 -3.073 5.862 -22.476 1.00 0.00 N ATOM 150 NH2 ARG A 9 -4.788 6.084 -20.991 1.00 0.00 N ATOM 0 H ARG A 9 -2.641 1.955 -15.821 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.129 4.552 -16.131 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.745 2.953 -18.007 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.408 4.562 -17.797 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.110 5.543 -18.245 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.488 3.927 -18.511 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.006 4.605 -20.732 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.454 3.719 -20.296 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.580 6.621 -19.604 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.075 5.742 -22.650 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.722 5.930 -23.260 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.108 6.134 -20.024 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.460 6.155 -21.755 1.00 0.00 H new ATOM 164 N ALA A 10 -2.774 5.556 -14.557 1.00 0.00 N ATOM 165 CA ALA A 10 -3.803 6.337 -13.801 1.00 0.00 C ATOM 166 C ALA A 10 -4.920 6.816 -14.748 1.00 0.00 C ATOM 167 O ALA A 10 -4.693 7.655 -15.600 1.00 0.00 O ATOM 168 CB ALA A 10 -3.113 7.541 -13.131 1.00 0.00 C ATOM 0 H ALA A 10 -1.812 5.871 -14.429 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.259 5.703 -13.040 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.851 8.120 -12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.342 7.185 -12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.657 8.171 -13.895 1.00 0.00 H new ATOM 174 N LEU A 11 -6.092 6.256 -14.567 1.00 0.00 N ATOM 175 CA LEU A 11 -7.258 6.601 -15.440 1.00 0.00 C ATOM 176 C LEU A 11 -7.703 8.041 -15.160 1.00 0.00 C ATOM 177 O LEU A 11 -7.845 8.835 -16.069 1.00 0.00 O ATOM 178 CB LEU A 11 -8.430 5.621 -15.147 1.00 0.00 C ATOM 179 CG LEU A 11 -8.911 4.929 -16.457 1.00 0.00 C ATOM 180 CD1 LEU A 11 -10.012 3.886 -16.109 1.00 0.00 C ATOM 181 CD2 LEU A 11 -9.474 5.988 -17.457 1.00 0.00 C ATOM 0 H LEU A 11 -6.292 5.566 -13.843 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.967 6.514 -16.487 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.109 4.867 -14.429 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.258 6.163 -14.691 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.067 4.426 -16.929 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.353 3.398 -17.022 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.603 3.138 -15.429 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.852 4.390 -15.631 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.806 5.489 -18.367 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.316 6.508 -17.000 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.693 6.708 -17.702 1.00 0.00 H new ATOM 193 N TYR A 12 -7.907 8.316 -13.896 1.00 0.00 N ATOM 194 CA TYR A 12 -8.355 9.670 -13.446 1.00 0.00 C ATOM 195 C TYR A 12 -7.435 10.180 -12.341 1.00 0.00 C ATOM 196 O TYR A 12 -6.867 9.401 -11.599 1.00 0.00 O ATOM 197 CB TYR A 12 -9.804 9.567 -12.924 1.00 0.00 C ATOM 198 CG TYR A 12 -10.654 10.677 -13.556 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.979 10.617 -14.896 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.102 11.743 -12.800 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.742 11.607 -15.474 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.866 12.734 -13.379 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.191 12.672 -14.720 1.00 0.00 C ATOM 204 OH TYR A 12 -12.956 13.660 -15.305 1.00 0.00 O ATOM 0 H TYR A 12 -7.779 7.643 -13.140 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.315 10.369 -14.281 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.222 8.590 -13.168 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.818 9.657 -11.838 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.633 9.788 -15.495 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.853 11.800 -11.751 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.990 11.550 -16.523 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.212 13.564 -12.780 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.189 14.334 -14.633 1.00 0.00 H new ATOM 214 N ASP A 13 -7.320 11.480 -12.261 1.00 0.00 N ATOM 215 CA ASP A 13 -6.611 12.139 -11.142 1.00 0.00 C ATOM 216 C ASP A 13 -7.217 11.754 -9.778 1.00 0.00 C ATOM 217 O ASP A 13 -8.415 11.844 -9.582 1.00 0.00 O ATOM 218 CB ASP A 13 -6.700 13.640 -11.423 1.00 0.00 C ATOM 219 CG ASP A 13 -8.124 14.177 -11.162 1.00 0.00 C ATOM 220 OD1 ASP A 13 -8.965 13.946 -12.016 1.00 0.00 O ATOM 221 OD2 ASP A 13 -8.291 14.787 -10.119 1.00 0.00 O ATOM 0 H ASP A 13 -7.703 12.126 -12.951 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.571 11.819 -11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.987 14.173 -10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.419 13.836 -12.458 1.00 0.00 H new ATOM 226 N TYR A 14 -6.360 11.336 -8.883 1.00 0.00 N ATOM 227 CA TYR A 14 -6.776 11.015 -7.484 1.00 0.00 C ATOM 228 C TYR A 14 -5.837 11.722 -6.506 1.00 0.00 C ATOM 229 O TYR A 14 -4.631 11.624 -6.621 1.00 0.00 O ATOM 230 CB TYR A 14 -6.716 9.486 -7.317 1.00 0.00 C ATOM 231 CG TYR A 14 -6.706 9.039 -5.837 1.00 0.00 C ATOM 232 CD1 TYR A 14 -7.885 8.794 -5.160 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.508 8.865 -5.169 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.863 8.382 -3.844 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.484 8.453 -3.853 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.663 8.208 -3.181 1.00 0.00 C ATOM 237 OH TYR A 14 -6.643 7.793 -1.864 1.00 0.00 O ATOM 0 H TYR A 14 -5.366 11.201 -9.068 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.790 11.359 -7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.572 9.037 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.821 9.107 -7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.831 8.926 -5.665 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.578 9.054 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.792 8.194 -3.327 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.539 8.322 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.715 7.722 -1.557 1.00 0.00 H new ATOM 247 N LYS A 15 -6.431 12.410 -5.568 1.00 0.00 N ATOM 248 CA LYS A 15 -5.654 13.062 -4.478 1.00 0.00 C ATOM 249 C LYS A 15 -5.502 12.071 -3.320 1.00 0.00 C ATOM 250 O LYS A 15 -6.307 11.172 -3.173 1.00 0.00 O ATOM 251 CB LYS A 15 -6.430 14.311 -4.037 1.00 0.00 C ATOM 252 CG LYS A 15 -5.784 15.576 -4.637 1.00 0.00 C ATOM 253 CD LYS A 15 -6.790 16.742 -4.546 1.00 0.00 C ATOM 254 CE LYS A 15 -6.164 18.023 -5.134 1.00 0.00 C ATOM 255 NZ LYS A 15 -5.454 18.783 -4.066 1.00 0.00 N ATOM 0 H LYS A 15 -7.440 12.549 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.658 13.353 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.469 14.236 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.438 14.378 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.870 15.824 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.504 15.400 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.702 16.490 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.073 16.909 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.467 17.764 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.940 18.645 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.036 19.644 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.129 19.045 -3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.701 18.191 -3.660 1.00 0.00 H new ATOM 269 N LYS A 16 -4.476 12.269 -2.527 1.00 0.00 N ATOM 270 CA LYS A 16 -4.216 11.337 -1.386 1.00 0.00 C ATOM 271 C LYS A 16 -4.965 11.834 -0.141 1.00 0.00 C ATOM 272 O LYS A 16 -5.120 13.024 0.057 1.00 0.00 O ATOM 273 CB LYS A 16 -2.679 11.279 -1.126 1.00 0.00 C ATOM 274 CG LYS A 16 -2.142 12.574 -0.449 1.00 0.00 C ATOM 275 CD LYS A 16 -2.231 12.468 1.104 1.00 0.00 C ATOM 276 CE LYS A 16 -0.824 12.478 1.730 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.137 13.776 1.458 1.00 0.00 N ATOM 0 H LYS A 16 -3.809 13.035 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.573 10.335 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.452 10.421 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.159 11.124 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.107 12.743 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.717 13.434 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.816 13.299 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.752 11.552 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.897 12.318 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.234 11.656 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.579 13.950 2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.324 13.736 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.835 14.547 1.466 1.00 0.00 H new ATOM 291 N GLU A 17 -5.404 10.892 0.653 1.00 0.00 N ATOM 292 CA GLU A 17 -6.156 11.210 1.909 1.00 0.00 C ATOM 293 C GLU A 17 -5.573 10.410 3.085 1.00 0.00 C ATOM 294 O GLU A 17 -5.954 10.615 4.222 1.00 0.00 O ATOM 295 CB GLU A 17 -7.648 10.849 1.693 1.00 0.00 C ATOM 296 CG GLU A 17 -8.546 11.884 2.404 1.00 0.00 C ATOM 297 CD GLU A 17 -9.982 11.335 2.499 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.713 11.544 1.543 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.272 10.736 3.521 1.00 0.00 O ATOM 0 H GLU A 17 -5.271 9.895 0.482 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.067 12.271 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.876 10.828 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.850 9.851 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.159 12.094 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.540 12.825 1.855 1.00 0.00 H new ATOM 306 N ARG A 18 -4.665 9.522 2.762 1.00 0.00 N ATOM 307 CA ARG A 18 -3.962 8.698 3.790 1.00 0.00 C ATOM 308 C ARG A 18 -2.451 8.789 3.568 1.00 0.00 C ATOM 309 O ARG A 18 -1.990 8.969 2.456 1.00 0.00 O ATOM 310 CB ARG A 18 -4.447 7.247 3.651 1.00 0.00 C ATOM 311 CG ARG A 18 -3.991 6.396 4.866 1.00 0.00 C ATOM 312 CD ARG A 18 -5.211 5.800 5.588 1.00 0.00 C ATOM 313 NE ARG A 18 -5.987 6.911 6.219 1.00 0.00 N ATOM 314 CZ ARG A 18 -6.403 6.799 7.454 1.00 0.00 C ATOM 315 NH1 ARG A 18 -7.510 6.151 7.695 1.00 0.00 N ATOM 316 NH2 ARG A 18 -5.697 7.339 8.408 1.00 0.00 N ATOM 0 H ARG A 18 -4.376 9.331 1.803 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.181 9.060 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.534 7.228 3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.055 6.814 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.331 5.596 4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.417 7.014 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.838 5.255 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.889 5.086 6.346 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.192 7.756 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.038 5.740 6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.847 6.055 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.836 7.839 8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.006 7.262 9.377 1.00 0.00 H new ATOM 330 N GLU A 19 -1.730 8.658 4.651 1.00 0.00 N ATOM 331 CA GLU A 19 -0.233 8.662 4.599 1.00 0.00 C ATOM 332 C GLU A 19 0.311 7.448 3.838 1.00 0.00 C ATOM 333 O GLU A 19 1.454 7.426 3.424 1.00 0.00 O ATOM 334 CB GLU A 19 0.308 8.660 6.042 1.00 0.00 C ATOM 335 CG GLU A 19 -0.326 9.832 6.833 1.00 0.00 C ATOM 336 CD GLU A 19 0.769 10.623 7.571 1.00 0.00 C ATOM 337 OE1 GLU A 19 1.274 11.552 6.962 1.00 0.00 O ATOM 338 OE2 GLU A 19 1.042 10.255 8.702 1.00 0.00 O ATOM 0 H GLU A 19 -2.120 8.546 5.587 1.00 0.00 H new ATOM 0 HA GLU A 19 0.096 9.555 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.076 7.712 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.394 8.757 6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.866 10.491 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.053 9.447 7.548 1.00 0.00 H new ATOM 345 N GLU A 20 -0.544 6.476 3.681 1.00 0.00 N ATOM 346 CA GLU A 20 -0.185 5.236 2.928 1.00 0.00 C ATOM 347 C GLU A 20 -0.249 5.482 1.414 1.00 0.00 C ATOM 348 O GLU A 20 0.419 4.809 0.652 1.00 0.00 O ATOM 349 CB GLU A 20 -1.165 4.126 3.319 1.00 0.00 C ATOM 350 CG GLU A 20 -1.150 3.936 4.863 1.00 0.00 C ATOM 351 CD GLU A 20 -2.216 2.913 5.331 1.00 0.00 C ATOM 352 OE1 GLU A 20 -3.203 2.728 4.631 1.00 0.00 O ATOM 353 OE2 GLU A 20 -1.974 2.364 6.394 1.00 0.00 O ATOM 0 H GLU A 20 -1.495 6.487 4.049 1.00 0.00 H new ATOM 0 HA GLU A 20 0.834 4.943 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.170 4.380 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.890 3.194 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.162 3.600 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.330 4.895 5.348 1.00 0.00 H new ATOM 360 N ASP A 21 -1.054 6.444 1.037 1.00 0.00 N ATOM 361 CA ASP A 21 -1.245 6.791 -0.405 1.00 0.00 C ATOM 362 C ASP A 21 -0.511 8.084 -0.764 1.00 0.00 C ATOM 363 O ASP A 21 -0.264 8.926 0.079 1.00 0.00 O ATOM 364 CB ASP A 21 -2.753 6.942 -0.662 1.00 0.00 C ATOM 365 CG ASP A 21 -3.352 5.579 -1.071 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.127 4.627 -0.336 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.005 5.567 -2.101 1.00 0.00 O ATOM 0 H ASP A 21 -1.599 7.016 1.683 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.830 6.000 -1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.249 7.313 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.926 7.676 -1.449 1.00 0.00 H new ATOM 372 N ILE A 22 -0.189 8.187 -2.027 1.00 0.00 N ATOM 373 CA ILE A 22 0.534 9.382 -2.569 1.00 0.00 C ATOM 374 C ILE A 22 -0.328 10.071 -3.634 1.00 0.00 C ATOM 375 O ILE A 22 -1.405 9.610 -3.964 1.00 0.00 O ATOM 376 CB ILE A 22 1.883 8.923 -3.193 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.710 7.557 -3.926 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.964 8.788 -2.091 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.696 7.472 -5.095 1.00 0.00 C ATOM 0 H ILE A 22 -0.402 7.475 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 22 0.729 10.089 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 22 2.199 9.675 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.883 6.735 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.688 7.456 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.903 8.466 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.107 9.751 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.643 8.051 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.573 6.517 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.502 8.285 -5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.715 7.554 -4.718 1.00 0.00 H new ATOM 391 N ASP A 23 0.186 11.163 -4.138 1.00 0.00 N ATOM 392 CA ASP A 23 -0.591 11.998 -5.107 1.00 0.00 C ATOM 393 C ASP A 23 -0.580 11.337 -6.487 1.00 0.00 C ATOM 394 O ASP A 23 0.453 10.881 -6.942 1.00 0.00 O ATOM 395 CB ASP A 23 0.045 13.398 -5.193 1.00 0.00 C ATOM 396 CG ASP A 23 0.013 14.118 -3.822 1.00 0.00 C ATOM 397 OD1 ASP A 23 -0.925 13.893 -3.070 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.948 14.870 -3.601 1.00 0.00 O ATOM 0 H ASP A 23 1.118 11.516 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.623 12.087 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.076 13.311 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.487 13.996 -5.933 1.00 0.00 H new ATOM 403 N LEU A 24 -1.734 11.309 -7.105 1.00 0.00 N ATOM 404 CA LEU A 24 -1.883 10.637 -8.432 1.00 0.00 C ATOM 405 C LEU A 24 -2.544 11.586 -9.433 1.00 0.00 C ATOM 406 O LEU A 24 -3.518 12.244 -9.122 1.00 0.00 O ATOM 407 CB LEU A 24 -2.755 9.368 -8.289 1.00 0.00 C ATOM 408 CG LEU A 24 -2.190 8.405 -7.203 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.164 7.201 -7.016 1.00 0.00 C ATOM 410 CD2 LEU A 24 -0.775 7.880 -7.597 1.00 0.00 C ATOM 0 H LEU A 24 -2.590 11.729 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.892 10.361 -8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.774 9.653 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.804 8.849 -9.246 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.100 8.957 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.768 6.527 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.141 7.569 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.265 6.664 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.406 7.210 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.837 7.340 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.091 8.722 -7.705 1.00 0.00 H new ATOM 422 N HIS A 25 -1.981 11.616 -10.612 1.00 0.00 N ATOM 423 CA HIS A 25 -2.408 12.603 -11.658 1.00 0.00 C ATOM 424 C HIS A 25 -2.534 11.873 -13.003 1.00 0.00 C ATOM 425 O HIS A 25 -2.395 10.666 -13.058 1.00 0.00 O ATOM 426 CB HIS A 25 -1.361 13.765 -11.779 1.00 0.00 C ATOM 427 CG HIS A 25 -0.217 13.676 -10.761 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.325 13.541 -9.478 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.141 13.724 -10.987 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.857 13.503 -8.947 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.802 13.614 -9.850 1.00 0.00 N ATOM 0 H HIS A 25 -1.231 10.989 -10.903 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.368 13.036 -11.376 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.941 13.760 -12.785 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.874 14.718 -11.653 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.204 13.475 -8.965 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.600 13.836 -11.958 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.041 13.393 -7.889 1.00 0.00 H new ATOM 439 N LEU A 26 -2.792 12.609 -14.056 1.00 0.00 N ATOM 440 CA LEU A 26 -3.017 11.959 -15.387 1.00 0.00 C ATOM 441 C LEU A 26 -1.673 11.638 -16.054 1.00 0.00 C ATOM 442 O LEU A 26 -0.678 12.282 -15.784 1.00 0.00 O ATOM 443 CB LEU A 26 -3.842 12.912 -16.286 1.00 0.00 C ATOM 444 CG LEU A 26 -5.095 13.446 -15.496 1.00 0.00 C ATOM 445 CD1 LEU A 26 -4.863 14.921 -15.050 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.392 13.339 -16.355 1.00 0.00 C ATOM 0 H LEU A 26 -2.857 13.627 -14.053 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.564 11.027 -15.246 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.222 13.748 -16.609 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.165 12.388 -17.186 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.225 12.824 -14.611 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.737 15.278 -14.505 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.986 14.972 -14.404 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.703 15.546 -15.929 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.240 13.715 -15.782 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.277 13.930 -17.263 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.568 12.297 -16.621 1.00 0.00 H new ATOM 458 N GLY A 27 -1.681 10.647 -16.910 1.00 0.00 N ATOM 459 CA GLY A 27 -0.417 10.182 -17.574 1.00 0.00 C ATOM 460 C GLY A 27 0.587 9.541 -16.607 1.00 0.00 C ATOM 461 O GLY A 27 1.600 9.017 -17.032 1.00 0.00 O ATOM 0 H GLY A 27 -2.518 10.132 -17.182 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.669 9.462 -18.352 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.058 11.030 -18.067 1.00 0.00 H new ATOM 465 N ASP A 28 0.281 9.597 -15.335 1.00 0.00 N ATOM 466 CA ASP A 28 1.144 8.935 -14.311 1.00 0.00 C ATOM 467 C ASP A 28 1.101 7.424 -14.501 1.00 0.00 C ATOM 468 O ASP A 28 0.059 6.812 -14.368 1.00 0.00 O ATOM 469 CB ASP A 28 0.633 9.291 -12.914 1.00 0.00 C ATOM 470 CG ASP A 28 1.083 10.719 -12.583 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.499 11.615 -13.172 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.981 10.835 -11.765 1.00 0.00 O ATOM 0 H ASP A 28 -0.537 10.077 -14.960 1.00 0.00 H new ATOM 0 HA ASP A 28 2.172 9.280 -14.424 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.454 9.218 -12.878 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.024 8.590 -12.177 1.00 0.00 H new ATOM 477 N ILE A 29 2.245 6.872 -14.811 1.00 0.00 N ATOM 478 CA ILE A 29 2.369 5.388 -14.873 1.00 0.00 C ATOM 479 C ILE A 29 3.100 4.879 -13.642 1.00 0.00 C ATOM 480 O ILE A 29 4.069 5.457 -13.184 1.00 0.00 O ATOM 481 CB ILE A 29 3.119 5.031 -16.199 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.002 4.783 -17.237 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.021 3.745 -16.109 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.504 4.989 -18.677 1.00 0.00 C ATOM 0 H ILE A 29 3.099 7.387 -15.024 1.00 0.00 H new ATOM 0 HA ILE A 29 1.391 4.906 -14.878 1.00 0.00 H new ATOM 0 HB ILE A 29 3.801 5.843 -16.451 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.622 3.767 -17.126 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.169 5.458 -17.043 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.503 3.571 -17.071 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.782 3.887 -15.342 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.403 2.885 -15.852 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.688 4.805 -19.376 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.860 6.013 -18.795 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.320 4.296 -18.881 1.00 0.00 H new ATOM 496 N LEU A 30 2.576 3.786 -13.158 1.00 0.00 N ATOM 497 CA LEU A 30 3.128 3.120 -11.951 1.00 0.00 C ATOM 498 C LEU A 30 3.774 1.790 -12.368 1.00 0.00 C ATOM 499 O LEU A 30 3.456 1.258 -13.414 1.00 0.00 O ATOM 500 CB LEU A 30 1.966 2.881 -10.959 1.00 0.00 C ATOM 501 CG LEU A 30 1.745 4.124 -10.058 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.395 5.384 -10.904 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.594 3.843 -9.062 1.00 0.00 C ATOM 0 H LEU A 30 1.766 3.317 -13.563 1.00 0.00 H new ATOM 0 HA LEU A 30 3.888 3.738 -11.472 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.052 2.659 -11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.184 2.011 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 30 2.672 4.319 -9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.246 6.237 -10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.212 5.598 -11.593 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.481 5.200 -11.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.439 4.717 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.321 3.628 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.852 2.986 -8.440 1.00 0.00 H new ATOM 515 N THR A 31 4.658 1.295 -11.538 1.00 0.00 N ATOM 516 CA THR A 31 5.353 -0.003 -11.824 1.00 0.00 C ATOM 517 C THR A 31 5.271 -0.911 -10.589 1.00 0.00 C ATOM 518 O THR A 31 5.200 -0.419 -9.480 1.00 0.00 O ATOM 519 CB THR A 31 6.827 0.296 -12.182 1.00 0.00 C ATOM 520 OG1 THR A 31 6.774 1.097 -13.357 1.00 0.00 O ATOM 521 CG2 THR A 31 7.593 -0.980 -12.614 1.00 0.00 C ATOM 0 H THR A 31 4.933 1.740 -10.662 1.00 0.00 H new ATOM 0 HA THR A 31 4.875 -0.514 -12.660 1.00 0.00 H new ATOM 0 HB THR A 31 7.318 0.745 -11.319 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.526 1.726 -13.358 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.624 -0.721 -12.856 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.582 -1.704 -11.799 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.112 -1.413 -13.491 1.00 0.00 H new ATOM 529 N VAL A 32 5.280 -2.204 -10.819 1.00 0.00 N ATOM 530 CA VAL A 32 5.206 -3.188 -9.690 1.00 0.00 C ATOM 531 C VAL A 32 6.465 -4.061 -9.715 1.00 0.00 C ATOM 532 O VAL A 32 7.543 -3.567 -9.985 1.00 0.00 O ATOM 533 CB VAL A 32 3.908 -4.077 -9.847 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.513 -4.659 -8.446 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.739 -3.234 -10.404 1.00 0.00 C ATOM 0 H VAL A 32 5.336 -2.623 -11.747 1.00 0.00 H new ATOM 0 HA VAL A 32 5.151 -2.665 -8.735 1.00 0.00 H new ATOM 0 HB VAL A 32 4.115 -4.889 -10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.618 -5.273 -8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.331 -5.269 -8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.315 -3.840 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.854 -3.862 -10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.525 -2.413 -9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.013 -2.832 -11.380 1.00 0.00 H new ATOM 545 N ASN A 33 6.288 -5.326 -9.431 1.00 0.00 N ATOM 546 CA ASN A 33 7.423 -6.285 -9.389 1.00 0.00 C ATOM 547 C ASN A 33 7.131 -7.451 -10.330 1.00 0.00 C ATOM 548 O ASN A 33 6.060 -7.555 -10.896 1.00 0.00 O ATOM 549 CB ASN A 33 7.580 -6.780 -7.950 1.00 0.00 C ATOM 550 CG ASN A 33 7.877 -5.577 -7.042 1.00 0.00 C ATOM 551 OD1 ASN A 33 7.096 -5.225 -6.181 1.00 0.00 O ATOM 552 ND2 ASN A 33 8.993 -4.919 -7.201 1.00 0.00 N ATOM 0 H ASN A 33 5.380 -5.740 -9.222 1.00 0.00 H new ATOM 0 HA ASN A 33 8.348 -5.805 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.671 -7.284 -7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.388 -7.509 -7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.202 -4.118 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.656 -5.206 -7.921 1.00 0.00 H new ATOM 559 N LYS A 34 8.120 -8.288 -10.457 1.00 0.00 N ATOM 560 CA LYS A 34 7.971 -9.614 -11.139 1.00 0.00 C ATOM 561 C LYS A 34 7.545 -10.708 -10.146 1.00 0.00 C ATOM 562 O LYS A 34 7.392 -11.850 -10.534 1.00 0.00 O ATOM 563 CB LYS A 34 9.324 -10.000 -11.798 1.00 0.00 C ATOM 564 CG LYS A 34 10.467 -9.506 -10.897 1.00 0.00 C ATOM 565 CD LYS A 34 11.794 -10.249 -11.167 1.00 0.00 C ATOM 566 CE LYS A 34 12.982 -9.494 -10.502 1.00 0.00 C ATOM 567 NZ LYS A 34 12.600 -8.875 -9.194 1.00 0.00 N ATOM 0 H LYS A 34 9.060 -8.106 -10.106 1.00 0.00 H new ATOM 0 HA LYS A 34 7.193 -9.530 -11.898 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.386 -11.080 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.403 -9.553 -12.789 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.614 -8.437 -11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.186 -9.639 -9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.736 -11.265 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.961 -10.330 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.809 -10.187 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.340 -8.718 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.459 -8.624 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.037 -8.018 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.038 -9.553 -8.640 1.00 0.00 H new ATOM 581 N GLY A 35 7.367 -10.329 -8.900 1.00 0.00 N ATOM 582 CA GLY A 35 6.875 -11.281 -7.853 1.00 0.00 C ATOM 583 C GLY A 35 5.560 -11.964 -8.224 1.00 0.00 C ATOM 584 O GLY A 35 5.216 -12.958 -7.623 1.00 0.00 O ATOM 0 H GLY A 35 7.545 -9.384 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.635 -12.043 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.744 -10.742 -6.915 1.00 0.00 H new ATOM 588 N SER A 36 4.872 -11.412 -9.195 1.00 0.00 N ATOM 589 CA SER A 36 3.722 -12.090 -9.884 1.00 0.00 C ATOM 590 C SER A 36 2.487 -12.108 -8.975 1.00 0.00 C ATOM 591 O SER A 36 1.752 -13.072 -8.862 1.00 0.00 O ATOM 592 CB SER A 36 4.209 -13.531 -10.312 1.00 0.00 C ATOM 593 OG SER A 36 3.947 -14.468 -9.273 1.00 0.00 O ATOM 0 H SER A 36 5.069 -10.478 -9.554 1.00 0.00 H new ATOM 0 HA SER A 36 3.414 -11.549 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.700 -13.838 -11.225 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.276 -13.511 -10.533 1.00 0.00 H new ATOM 0 HG SER A 36 4.154 -14.061 -8.406 1.00 0.00 H new ATOM 599 N LEU A 37 2.348 -10.958 -8.366 1.00 0.00 N ATOM 600 CA LEU A 37 1.226 -10.585 -7.450 1.00 0.00 C ATOM 601 C LEU A 37 1.452 -11.200 -6.053 1.00 0.00 C ATOM 602 O LEU A 37 0.845 -10.783 -5.089 1.00 0.00 O ATOM 603 CB LEU A 37 -0.160 -11.087 -8.000 1.00 0.00 C ATOM 604 CG LEU A 37 -0.399 -10.678 -9.497 1.00 0.00 C ATOM 605 CD1 LEU A 37 -1.751 -11.279 -9.988 1.00 0.00 C ATOM 606 CD2 LEU A 37 -0.434 -9.125 -9.643 1.00 0.00 C ATOM 0 H LEU A 37 3.025 -10.204 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 37 1.208 -9.497 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.211 -12.172 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.961 -10.679 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 37 0.420 -11.066 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.919 -10.996 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.716 -12.366 -9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.565 -10.896 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.601 -8.861 -10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.242 -8.720 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.516 -8.707 -9.310 1.00 0.00 H new ATOM 618 N VAL A 38 2.326 -12.174 -5.986 1.00 0.00 N ATOM 619 CA VAL A 38 2.782 -12.757 -4.673 1.00 0.00 C ATOM 620 C VAL A 38 3.505 -11.703 -3.822 1.00 0.00 C ATOM 621 O VAL A 38 3.602 -11.809 -2.615 1.00 0.00 O ATOM 622 CB VAL A 38 3.740 -13.959 -4.959 1.00 0.00 C ATOM 623 CG1 VAL A 38 4.222 -14.636 -3.636 1.00 0.00 C ATOM 624 CG2 VAL A 38 3.020 -15.005 -5.858 1.00 0.00 C ATOM 0 H VAL A 38 2.756 -12.604 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 38 1.910 -13.097 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 38 4.618 -13.573 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.886 -15.467 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.757 -13.907 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.360 -15.007 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.692 -15.840 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.127 -15.369 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.735 -14.539 -6.801 1.00 0.00 H new ATOM 634 N ALA A 39 3.989 -10.715 -4.516 1.00 0.00 N ATOM 635 CA ALA A 39 4.476 -9.446 -3.890 1.00 0.00 C ATOM 636 C ALA A 39 3.448 -8.804 -2.943 1.00 0.00 C ATOM 637 O ALA A 39 3.809 -8.036 -2.073 1.00 0.00 O ATOM 638 CB ALA A 39 4.828 -8.464 -5.016 1.00 0.00 C ATOM 0 H ALA A 39 4.072 -10.732 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 39 5.347 -9.684 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.186 -7.529 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.607 -8.895 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.941 -8.269 -5.619 1.00 0.00 H new ATOM 644 N LEU A 40 2.203 -9.141 -3.149 1.00 0.00 N ATOM 645 CA LEU A 40 1.079 -8.559 -2.356 1.00 0.00 C ATOM 646 C LEU A 40 0.478 -9.627 -1.436 1.00 0.00 C ATOM 647 O LEU A 40 -0.338 -9.318 -0.588 1.00 0.00 O ATOM 648 CB LEU A 40 0.026 -8.040 -3.341 1.00 0.00 C ATOM 649 CG LEU A 40 0.670 -6.950 -4.267 1.00 0.00 C ATOM 650 CD1 LEU A 40 -0.015 -6.948 -5.662 1.00 0.00 C ATOM 651 CD2 LEU A 40 0.562 -5.557 -3.597 1.00 0.00 C ATOM 0 H LEU A 40 1.910 -9.816 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 40 1.436 -7.742 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.361 -8.862 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.819 -7.618 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 40 1.725 -7.185 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.444 -6.186 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.107 -7.926 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.077 -6.731 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.011 -4.805 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.487 -5.313 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.086 -5.571 -2.641 1.00 0.00 H new ATOM 663 N GLY A 41 0.903 -10.851 -1.637 1.00 0.00 N ATOM 664 CA GLY A 41 0.283 -12.017 -0.932 1.00 0.00 C ATOM 665 C GLY A 41 -0.821 -12.690 -1.758 1.00 0.00 C ATOM 666 O GLY A 41 -1.591 -13.469 -1.228 1.00 0.00 O ATOM 0 H GLY A 41 1.665 -11.095 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.056 -12.750 -0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.133 -11.682 0.018 1.00 0.00 H new ATOM 670 N PHE A 42 -0.862 -12.368 -3.024 1.00 0.00 N ATOM 671 CA PHE A 42 -1.848 -13.002 -3.962 1.00 0.00 C ATOM 672 C PHE A 42 -1.292 -14.309 -4.549 1.00 0.00 C ATOM 673 O PHE A 42 -0.118 -14.606 -4.420 1.00 0.00 O ATOM 674 CB PHE A 42 -2.159 -12.016 -5.108 1.00 0.00 C ATOM 675 CG PHE A 42 -3.342 -11.088 -4.783 1.00 0.00 C ATOM 676 CD1 PHE A 42 -3.475 -10.478 -3.546 1.00 0.00 C ATOM 677 CD2 PHE A 42 -4.293 -10.844 -5.756 1.00 0.00 C ATOM 678 CE1 PHE A 42 -4.543 -9.642 -3.293 1.00 0.00 C ATOM 679 CE2 PHE A 42 -5.361 -10.009 -5.504 1.00 0.00 C ATOM 680 CZ PHE A 42 -5.487 -9.407 -4.269 1.00 0.00 C ATOM 0 H PHE A 42 -0.245 -11.682 -3.459 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.756 -13.236 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.275 -11.413 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.381 -12.577 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.739 -10.658 -2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.198 -11.313 -6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.640 -9.170 -2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.098 -9.827 -6.272 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.323 -8.754 -4.068 1.00 0.00 H new ATOM 690 N SER A 43 -2.175 -15.045 -5.180 1.00 0.00 N ATOM 691 CA SER A 43 -1.834 -16.402 -5.711 1.00 0.00 C ATOM 692 C SER A 43 -2.643 -16.663 -6.992 1.00 0.00 C ATOM 693 O SER A 43 -3.510 -17.515 -7.037 1.00 0.00 O ATOM 694 CB SER A 43 -2.174 -17.449 -4.636 1.00 0.00 C ATOM 695 OG SER A 43 -1.198 -17.265 -3.619 1.00 0.00 O ATOM 0 H SER A 43 -3.138 -14.755 -5.353 1.00 0.00 H new ATOM 0 HA SER A 43 -0.772 -16.464 -5.951 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.182 -17.302 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.134 -18.459 -5.043 1.00 0.00 H new ATOM 0 HG SER A 43 -1.357 -17.905 -2.894 1.00 0.00 H new ATOM 701 N ASP A 44 -2.329 -15.898 -8.005 1.00 0.00 N ATOM 702 CA ASP A 44 -2.980 -16.081 -9.339 1.00 0.00 C ATOM 703 C ASP A 44 -2.166 -15.358 -10.428 1.00 0.00 C ATOM 704 O ASP A 44 -0.979 -15.145 -10.269 1.00 0.00 O ATOM 705 CB ASP A 44 -4.432 -15.510 -9.266 1.00 0.00 C ATOM 706 CG ASP A 44 -5.413 -16.325 -10.150 1.00 0.00 C ATOM 707 OD1 ASP A 44 -5.000 -16.817 -11.190 1.00 0.00 O ATOM 708 OD2 ASP A 44 -6.552 -16.412 -9.726 1.00 0.00 O ATOM 0 H ASP A 44 -1.642 -15.145 -7.965 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.018 -17.140 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.777 -15.523 -8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.430 -14.469 -9.588 1.00 0.00 H new ATOM 713 N GLY A 45 -2.838 -15.007 -11.499 1.00 0.00 N ATOM 714 CA GLY A 45 -2.176 -14.344 -12.664 1.00 0.00 C ATOM 715 C GLY A 45 -3.108 -13.299 -13.268 1.00 0.00 C ATOM 716 O GLY A 45 -3.021 -12.978 -14.439 1.00 0.00 O ATOM 0 H GLY A 45 -3.840 -15.157 -11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.246 -13.873 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.914 -15.088 -13.416 1.00 0.00 H new ATOM 720 N GLN A 46 -3.971 -12.806 -12.423 1.00 0.00 N ATOM 721 CA GLN A 46 -5.001 -11.804 -12.836 1.00 0.00 C ATOM 722 C GLN A 46 -4.412 -10.380 -12.773 1.00 0.00 C ATOM 723 O GLN A 46 -5.014 -9.460 -12.249 1.00 0.00 O ATOM 724 CB GLN A 46 -6.207 -11.954 -11.887 1.00 0.00 C ATOM 725 CG GLN A 46 -6.827 -13.368 -12.040 1.00 0.00 C ATOM 726 CD GLN A 46 -7.668 -13.706 -10.800 1.00 0.00 C ATOM 727 OE1 GLN A 46 -7.273 -13.475 -9.674 1.00 0.00 O ATOM 728 NE2 GLN A 46 -8.838 -14.258 -10.955 1.00 0.00 N ATOM 0 H GLN A 46 -4.008 -13.062 -11.436 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.319 -11.976 -13.864 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.891 -11.796 -10.856 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.955 -11.193 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.449 -13.407 -12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.038 -14.109 -12.168 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.187 -14.460 -11.892 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.405 -14.489 -10.139 1.00 0.00 H new ATOM 737 N GLU A 47 -3.231 -10.248 -13.321 1.00 0.00 N ATOM 738 CA GLU A 47 -2.492 -8.943 -13.296 1.00 0.00 C ATOM 739 C GLU A 47 -3.217 -7.890 -14.142 1.00 0.00 C ATOM 740 O GLU A 47 -3.110 -6.703 -13.908 1.00 0.00 O ATOM 741 CB GLU A 47 -1.067 -9.148 -13.857 1.00 0.00 C ATOM 742 CG GLU A 47 -0.344 -10.294 -13.107 1.00 0.00 C ATOM 743 CD GLU A 47 0.965 -10.700 -13.825 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.697 -9.804 -14.221 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.166 -11.900 -13.937 1.00 0.00 O ATOM 0 H GLU A 47 -2.736 -11.003 -13.795 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.444 -8.593 -12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.119 -9.379 -14.921 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.496 -8.225 -13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.119 -9.979 -12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.005 -11.158 -13.035 1.00 0.00 H new ATOM 752 N ALA A 48 -3.933 -8.400 -15.106 1.00 0.00 N ATOM 753 CA ALA A 48 -4.590 -7.548 -16.143 1.00 0.00 C ATOM 754 C ALA A 48 -6.053 -7.265 -15.769 1.00 0.00 C ATOM 755 O ALA A 48 -6.842 -6.884 -16.612 1.00 0.00 O ATOM 756 CB ALA A 48 -4.487 -8.294 -17.493 1.00 0.00 C ATOM 0 H ALA A 48 -4.095 -9.400 -15.222 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.093 -6.580 -16.214 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.958 -7.698 -18.275 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.438 -8.454 -17.741 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.992 -9.257 -17.416 1.00 0.00 H new ATOM 762 N LYS A 49 -6.365 -7.460 -14.510 1.00 0.00 N ATOM 763 CA LYS A 49 -7.764 -7.273 -14.014 1.00 0.00 C ATOM 764 C LYS A 49 -7.771 -6.377 -12.747 1.00 0.00 C ATOM 765 O LYS A 49 -7.984 -6.872 -11.657 1.00 0.00 O ATOM 766 CB LYS A 49 -8.346 -8.671 -13.707 1.00 0.00 C ATOM 767 CG LYS A 49 -8.816 -9.363 -15.011 1.00 0.00 C ATOM 768 CD LYS A 49 -8.503 -10.871 -14.930 1.00 0.00 C ATOM 769 CE LYS A 49 -9.356 -11.641 -15.968 1.00 0.00 C ATOM 770 NZ LYS A 49 -8.662 -12.892 -16.396 1.00 0.00 N ATOM 0 H LYS A 49 -5.697 -7.746 -13.794 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.374 -6.775 -14.767 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.592 -9.285 -13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.183 -8.579 -13.015 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.886 -9.209 -15.153 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.314 -8.921 -15.872 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.443 -11.042 -15.118 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.713 -11.242 -13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.327 -11.887 -15.538 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.542 -11.007 -16.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.249 -13.394 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.746 -12.651 -16.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.506 -13.503 -15.569 1.00 0.00 H new ATOM 784 N PRO A 50 -7.543 -5.087 -12.907 1.00 0.00 N ATOM 785 CA PRO A 50 -7.641 -4.106 -11.781 1.00 0.00 C ATOM 786 C PRO A 50 -9.046 -4.034 -11.147 1.00 0.00 C ATOM 787 O PRO A 50 -9.234 -3.340 -10.165 1.00 0.00 O ATOM 788 CB PRO A 50 -7.220 -2.755 -12.366 1.00 0.00 C ATOM 789 CG PRO A 50 -6.861 -2.986 -13.859 1.00 0.00 C ATOM 790 CD PRO A 50 -7.164 -4.458 -14.202 1.00 0.00 C ATOM 0 HA PRO A 50 -6.994 -4.416 -10.960 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.027 -2.029 -12.274 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.365 -2.352 -11.824 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.441 -2.319 -14.497 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.809 -2.763 -14.037 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.972 -4.535 -14.929 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.294 -4.948 -14.639 1.00 0.00 H new ATOM 798 N GLU A 51 -9.984 -4.746 -11.723 1.00 0.00 N ATOM 799 CA GLU A 51 -11.394 -4.728 -11.222 1.00 0.00 C ATOM 800 C GLU A 51 -11.510 -5.475 -9.890 1.00 0.00 C ATOM 801 O GLU A 51 -12.223 -5.049 -9.001 1.00 0.00 O ATOM 802 CB GLU A 51 -12.307 -5.396 -12.262 1.00 0.00 C ATOM 803 CG GLU A 51 -12.502 -4.475 -13.483 1.00 0.00 C ATOM 804 CD GLU A 51 -13.558 -3.399 -13.161 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.725 -3.714 -13.331 1.00 0.00 O ATOM 806 OE2 GLU A 51 -13.142 -2.324 -12.762 1.00 0.00 O ATOM 0 H GLU A 51 -9.829 -5.348 -12.532 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.696 -3.692 -11.065 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.873 -6.344 -12.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.274 -5.623 -11.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.556 -4.002 -13.748 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.818 -5.061 -14.346 1.00 0.00 H new ATOM 813 N GLU A 52 -10.797 -6.568 -9.798 1.00 0.00 N ATOM 814 CA GLU A 52 -10.861 -7.428 -8.574 1.00 0.00 C ATOM 815 C GLU A 52 -9.809 -6.970 -7.564 1.00 0.00 C ATOM 816 O GLU A 52 -10.023 -7.054 -6.369 1.00 0.00 O ATOM 817 CB GLU A 52 -10.601 -8.906 -8.966 1.00 0.00 C ATOM 818 CG GLU A 52 -9.494 -8.993 -10.033 1.00 0.00 C ATOM 819 CD GLU A 52 -8.923 -10.417 -10.106 1.00 0.00 C ATOM 820 OE1 GLU A 52 -8.031 -10.687 -9.317 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.407 -11.157 -10.946 1.00 0.00 O ATOM 0 H GLU A 52 -10.166 -6.906 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.850 -7.341 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.310 -9.477 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.518 -9.354 -9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.895 -8.706 -11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.697 -8.288 -9.796 1.00 0.00 H new ATOM 828 N ILE A 53 -8.702 -6.494 -8.074 1.00 0.00 N ATOM 829 CA ILE A 53 -7.586 -6.082 -7.172 1.00 0.00 C ATOM 830 C ILE A 53 -7.930 -4.723 -6.564 1.00 0.00 C ATOM 831 O ILE A 53 -8.207 -3.774 -7.276 1.00 0.00 O ATOM 832 CB ILE A 53 -6.258 -5.968 -7.969 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.115 -7.160 -8.954 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.073 -6.002 -6.965 1.00 0.00 C ATOM 835 CD1 ILE A 53 -4.860 -6.988 -9.827 1.00 0.00 C ATOM 0 H ILE A 53 -8.523 -6.373 -9.071 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.458 -6.829 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.258 -5.037 -8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.053 -8.095 -8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.000 -7.225 -9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.132 -5.923 -7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.161 -5.167 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.093 -6.940 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.775 -7.832 -10.512 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.938 -6.063 -10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.976 -6.947 -9.190 1.00 0.00 H new ATOM 847 N GLY A 54 -7.894 -4.681 -5.259 1.00 0.00 N ATOM 848 CA GLY A 54 -8.354 -3.469 -4.530 1.00 0.00 C ATOM 849 C GLY A 54 -7.175 -2.536 -4.359 1.00 0.00 C ATOM 850 O GLY A 54 -7.021 -1.567 -5.077 1.00 0.00 O ATOM 0 H GLY A 54 -7.563 -5.441 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.152 -2.974 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.764 -3.744 -3.558 1.00 0.00 H new ATOM 854 N TRP A 55 -6.378 -2.886 -3.397 1.00 0.00 N ATOM 855 CA TRP A 55 -5.159 -2.093 -3.088 1.00 0.00 C ATOM 856 C TRP A 55 -3.965 -2.656 -3.847 1.00 0.00 C ATOM 857 O TRP A 55 -3.598 -3.805 -3.693 1.00 0.00 O ATOM 858 CB TRP A 55 -4.931 -2.145 -1.575 1.00 0.00 C ATOM 859 CG TRP A 55 -5.883 -1.117 -0.958 1.00 0.00 C ATOM 860 CD1 TRP A 55 -6.977 -1.407 -0.211 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.771 0.224 -1.077 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.463 -0.211 0.073 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.806 0.839 -0.407 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.828 0.983 -1.744 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -6.896 2.218 -0.400 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.919 2.353 -1.730 1.00 0.00 C ATOM 867 CH2 TRP A 55 -5.949 2.971 -1.062 1.00 0.00 C ATOM 0 H TRP A 55 -6.520 -3.701 -2.800 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.284 -1.056 -3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.133 -3.143 -1.186 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.895 -1.911 -1.330 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.357 -2.375 0.080 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.306 -0.099 0.636 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.021 0.500 -2.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.706 2.705 0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.179 2.947 -2.246 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.017 4.049 -1.055 1.00 0.00 H new ATOM 878 N LEU A 56 -3.401 -1.802 -4.657 1.00 0.00 N ATOM 879 CA LEU A 56 -2.129 -2.114 -5.368 1.00 0.00 C ATOM 880 C LEU A 56 -1.006 -1.323 -4.700 1.00 0.00 C ATOM 881 O LEU A 56 -1.083 -0.113 -4.602 1.00 0.00 O ATOM 882 CB LEU A 56 -2.281 -1.700 -6.828 1.00 0.00 C ATOM 883 CG LEU A 56 -3.461 -2.486 -7.495 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.684 -1.564 -7.736 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.015 -3.127 -8.835 1.00 0.00 C ATOM 0 H LEU A 56 -3.780 -0.877 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.897 -3.178 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.467 -0.628 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.354 -1.895 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.753 -3.279 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.486 -2.138 -8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.029 -1.161 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.397 -0.744 -8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.853 -3.666 -9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.685 -2.346 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.194 -3.820 -8.651 1.00 0.00 H new ATOM 897 N ASN A 57 0.002 -2.027 -4.260 1.00 0.00 N ATOM 898 CA ASN A 57 1.264 -1.363 -3.825 1.00 0.00 C ATOM 899 C ASN A 57 2.226 -1.313 -5.013 1.00 0.00 C ATOM 900 O ASN A 57 2.559 -2.340 -5.573 1.00 0.00 O ATOM 901 CB ASN A 57 1.883 -2.175 -2.668 1.00 0.00 C ATOM 902 CG ASN A 57 1.942 -1.350 -1.375 1.00 0.00 C ATOM 903 OD1 ASN A 57 1.713 -1.867 -0.300 1.00 0.00 O ATOM 904 ND2 ASN A 57 2.241 -0.078 -1.423 1.00 0.00 N ATOM 0 H ASN A 57 0.005 -3.044 -4.183 1.00 0.00 H new ATOM 0 HA ASN A 57 1.065 -0.348 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.295 -3.077 -2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.888 -2.496 -2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.280 0.470 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.435 0.367 -2.320 1.00 0.00 H new ATOM 911 N GLY A 58 2.646 -0.125 -5.367 1.00 0.00 N ATOM 912 CA GLY A 58 3.624 0.021 -6.485 1.00 0.00 C ATOM 913 C GLY A 58 4.449 1.297 -6.328 1.00 0.00 C ATOM 914 O GLY A 58 4.175 2.127 -5.480 1.00 0.00 O ATOM 0 H GLY A 58 2.354 0.749 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.287 -0.844 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.093 0.042 -7.437 1.00 0.00 H new ATOM 918 N TYR A 59 5.443 1.400 -7.169 1.00 0.00 N ATOM 919 CA TYR A 59 6.312 2.613 -7.206 1.00 0.00 C ATOM 920 C TYR A 59 5.760 3.620 -8.227 1.00 0.00 C ATOM 921 O TYR A 59 5.146 3.242 -9.206 1.00 0.00 O ATOM 922 CB TYR A 59 7.734 2.177 -7.603 1.00 0.00 C ATOM 923 CG TYR A 59 8.700 2.309 -6.420 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.704 1.368 -5.409 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.586 3.366 -6.358 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.585 1.479 -4.353 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.468 3.477 -5.302 1.00 0.00 C ATOM 928 CZ TYR A 59 10.471 2.534 -4.293 1.00 0.00 C ATOM 929 OH TYR A 59 11.356 2.639 -3.239 1.00 0.00 O ATOM 0 H TYR A 59 5.694 0.680 -7.846 1.00 0.00 H new ATOM 0 HA TYR A 59 6.331 3.093 -6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.718 1.144 -7.950 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.086 2.787 -8.435 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.012 0.539 -5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.589 4.110 -7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.581 0.736 -3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.159 4.306 -5.265 1.00 0.00 H new ATOM 0 HH TYR A 59 11.908 3.440 -3.354 1.00 0.00 H new ATOM 939 N ASN A 60 6.006 4.876 -7.952 1.00 0.00 N ATOM 940 CA ASN A 60 5.657 5.980 -8.900 1.00 0.00 C ATOM 941 C ASN A 60 6.937 6.735 -9.285 1.00 0.00 C ATOM 942 O ASN A 60 7.208 7.815 -8.794 1.00 0.00 O ATOM 943 CB ASN A 60 4.658 6.916 -8.201 1.00 0.00 C ATOM 944 CG ASN A 60 3.355 6.158 -7.911 1.00 0.00 C ATOM 945 OD1 ASN A 60 3.343 5.121 -7.275 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.227 6.643 -8.353 1.00 0.00 N ATOM 0 H ASN A 60 6.446 5.191 -7.087 1.00 0.00 H new ATOM 0 HA ASN A 60 5.204 5.586 -9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.086 7.292 -7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.454 7.782 -8.831 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.352 6.154 -8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.220 7.512 -8.888 1.00 0.00 H new ATOM 953 N GLU A 61 7.691 6.124 -10.165 1.00 0.00 N ATOM 954 CA GLU A 61 8.970 6.731 -10.659 1.00 0.00 C ATOM 955 C GLU A 61 8.735 8.160 -11.182 1.00 0.00 C ATOM 956 O GLU A 61 9.571 9.028 -11.017 1.00 0.00 O ATOM 957 CB GLU A 61 9.542 5.859 -11.799 1.00 0.00 C ATOM 958 CG GLU A 61 9.806 4.420 -11.305 1.00 0.00 C ATOM 959 CD GLU A 61 10.196 3.524 -12.502 1.00 0.00 C ATOM 960 OE1 GLU A 61 9.276 3.007 -13.119 1.00 0.00 O ATOM 961 OE2 GLU A 61 11.389 3.401 -12.736 1.00 0.00 O ATOM 0 H GLU A 61 7.472 5.214 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 61 9.675 6.777 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.842 5.839 -12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.469 6.298 -12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.604 4.420 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.916 4.024 -10.816 1.00 0.00 H new ATOM 968 N THR A 62 7.592 8.346 -11.797 1.00 0.00 N ATOM 969 CA THR A 62 7.138 9.705 -12.237 1.00 0.00 C ATOM 970 C THR A 62 7.150 10.737 -11.114 1.00 0.00 C ATOM 971 O THR A 62 7.701 11.809 -11.277 1.00 0.00 O ATOM 972 CB THR A 62 5.701 9.608 -12.810 1.00 0.00 C ATOM 973 OG1 THR A 62 4.986 8.665 -12.015 1.00 0.00 O ATOM 974 CG2 THR A 62 5.730 9.017 -14.229 1.00 0.00 C ATOM 0 H THR A 62 6.939 7.595 -12.018 1.00 0.00 H new ATOM 0 HA THR A 62 7.846 10.041 -12.995 1.00 0.00 H new ATOM 0 HB THR A 62 5.252 10.601 -12.814 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.069 8.582 -12.352 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.714 8.955 -14.618 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.329 9.657 -14.877 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.168 8.019 -14.199 1.00 0.00 H new ATOM 982 N THR A 63 6.552 10.392 -10.003 1.00 0.00 N ATOM 983 CA THR A 63 6.489 11.362 -8.862 1.00 0.00 C ATOM 984 C THR A 63 7.721 11.183 -7.967 1.00 0.00 C ATOM 985 O THR A 63 7.831 11.814 -6.931 1.00 0.00 O ATOM 986 CB THR A 63 5.202 11.105 -8.048 1.00 0.00 C ATOM 987 OG1 THR A 63 5.318 9.781 -7.543 1.00 0.00 O ATOM 988 CG2 THR A 63 3.946 11.098 -8.955 1.00 0.00 C ATOM 0 H THR A 63 6.107 9.490 -9.834 1.00 0.00 H new ATOM 0 HA THR A 63 6.476 12.382 -9.245 1.00 0.00 H new ATOM 0 HB THR A 63 5.097 11.878 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.523 9.562 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.060 10.914 -8.348 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.851 12.063 -9.453 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.042 10.312 -9.704 1.00 0.00 H new ATOM 996 N GLY A 64 8.608 10.321 -8.408 1.00 0.00 N ATOM 997 CA GLY A 64 9.828 9.985 -7.612 1.00 0.00 C ATOM 998 C GLY A 64 9.466 9.545 -6.188 1.00 0.00 C ATOM 999 O GLY A 64 10.182 9.833 -5.249 1.00 0.00 O ATOM 0 H GLY A 64 8.535 9.830 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.381 9.189 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.487 10.853 -7.570 1.00 0.00 H new ATOM 1003 N GLU A 65 8.354 8.862 -6.089 1.00 0.00 N ATOM 1004 CA GLU A 65 7.813 8.438 -4.762 1.00 0.00 C ATOM 1005 C GLU A 65 7.287 7.006 -4.873 1.00 0.00 C ATOM 1006 O GLU A 65 7.420 6.372 -5.902 1.00 0.00 O ATOM 1007 CB GLU A 65 6.677 9.414 -4.358 1.00 0.00 C ATOM 1008 CG GLU A 65 6.870 9.883 -2.894 1.00 0.00 C ATOM 1009 CD GLU A 65 8.126 10.776 -2.751 1.00 0.00 C ATOM 1010 OE1 GLU A 65 8.318 11.626 -3.609 1.00 0.00 O ATOM 1011 OE2 GLU A 65 8.829 10.554 -1.778 1.00 0.00 O ATOM 0 H GLU A 65 7.788 8.575 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 65 8.591 8.463 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.673 10.275 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.710 8.923 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.989 10.436 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.962 9.015 -2.241 1.00 0.00 H new ATOM 1018 N ARG A 66 6.706 6.541 -3.797 1.00 0.00 N ATOM 1019 CA ARG A 66 6.097 5.176 -3.776 1.00 0.00 C ATOM 1020 C ARG A 66 4.925 5.158 -2.793 1.00 0.00 C ATOM 1021 O ARG A 66 4.884 5.934 -1.857 1.00 0.00 O ATOM 1022 CB ARG A 66 7.174 4.156 -3.350 1.00 0.00 C ATOM 1023 CG ARG A 66 7.832 4.587 -2.008 1.00 0.00 C ATOM 1024 CD ARG A 66 9.214 5.222 -2.274 1.00 0.00 C ATOM 1025 NE ARG A 66 9.724 5.818 -1.005 1.00 0.00 N ATOM 1026 CZ ARG A 66 10.417 6.925 -1.039 1.00 0.00 C ATOM 1027 NH1 ARG A 66 11.699 6.868 -1.278 1.00 0.00 N ATOM 1028 NH2 ARG A 66 9.804 8.056 -0.831 1.00 0.00 N ATOM 0 H ARG A 66 6.627 7.056 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 66 5.726 4.913 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.725 3.169 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.935 4.077 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.189 5.300 -1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.940 3.722 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.910 4.469 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.135 5.988 -3.045 1.00 0.00 H new ATOM 0 HE ARG A 66 9.532 5.362 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.149 5.966 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.251 7.725 -1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.801 8.066 -0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.327 8.931 -0.853 1.00 0.00 H new ATOM 1042 N GLY A 67 4.003 4.264 -3.035 1.00 0.00 N ATOM 1043 CA GLY A 67 2.905 4.045 -2.047 1.00 0.00 C ATOM 1044 C GLY A 67 1.836 3.085 -2.563 1.00 0.00 C ATOM 1045 O GLY A 67 2.046 2.347 -3.508 1.00 0.00 O ATOM 0 H GLY A 67 3.962 3.679 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.326 3.651 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.443 5.002 -1.805 1.00 0.00 H new ATOM 1049 N ASP A 68 0.709 3.138 -1.904 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.474 2.320 -2.306 1.00 0.00 C ATOM 1051 C ASP A 68 -1.428 3.170 -3.140 1.00 0.00 C ATOM 1052 O ASP A 68 -1.369 4.385 -3.109 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.207 1.816 -1.046 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.864 0.344 -0.781 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.237 -0.467 -1.614 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.245 0.113 0.245 1.00 0.00 O ATOM 0 H ASP A 68 0.555 3.727 -1.086 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.136 1.468 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.924 2.423 -0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.284 1.928 -1.175 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.284 2.493 -3.860 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.342 3.188 -4.653 1.00 0.00 C ATOM 1063 C PHE A 69 -4.451 2.181 -5.023 1.00 0.00 C ATOM 1064 O PHE A 69 -4.138 1.041 -5.312 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.710 3.783 -5.930 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.075 2.675 -6.793 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.826 2.161 -6.486 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.751 2.180 -7.891 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.269 1.169 -7.264 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.195 1.188 -8.672 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.952 0.681 -8.358 1.00 0.00 C ATOM 0 H PHE A 69 -2.295 1.476 -3.933 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.781 3.993 -4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.471 4.309 -6.507 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.952 4.518 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.285 2.540 -5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.725 2.574 -8.141 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.705 0.773 -7.016 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.733 0.809 -9.528 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.514 -0.096 -8.967 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.701 2.597 -5.010 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.820 1.713 -5.434 1.00 0.00 C ATOM 1083 C PRO A 70 -6.713 1.324 -6.921 1.00 0.00 C ATOM 1084 O PRO A 70 -6.111 2.038 -7.703 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.108 2.482 -5.153 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.698 3.891 -4.639 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.154 3.951 -4.585 1.00 0.00 C ATOM 0 HA PRO A 70 -6.795 0.773 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.713 2.563 -6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.712 1.962 -4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.086 4.665 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.121 4.074 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.766 4.724 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.803 4.187 -3.581 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.307 0.206 -7.260 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.293 -0.286 -8.677 1.00 0.00 C ATOM 1097 C GLY A 71 -8.465 0.267 -9.503 1.00 0.00 C ATOM 1098 O GLY A 71 -8.476 0.153 -10.713 1.00 0.00 O ATOM 0 H GLY A 71 -7.808 -0.396 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.353 0.001 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.332 -1.375 -8.681 1.00 0.00 H new ATOM 1102 N THR A 72 -9.421 0.855 -8.826 1.00 0.00 N ATOM 1103 CA THR A 72 -10.607 1.470 -9.485 1.00 0.00 C ATOM 1104 C THR A 72 -10.258 2.858 -10.056 1.00 0.00 C ATOM 1105 O THR A 72 -11.117 3.544 -10.583 1.00 0.00 O ATOM 1106 CB THR A 72 -11.789 1.548 -8.411 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.065 2.906 -8.083 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.541 0.829 -7.040 1.00 0.00 C ATOM 0 H THR A 72 -9.424 0.934 -7.809 1.00 0.00 H new ATOM 0 HA THR A 72 -10.929 0.860 -10.329 1.00 0.00 H new ATOM 0 HB THR A 72 -12.606 1.030 -8.914 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.249 3.335 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.414 0.954 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.367 -0.233 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.669 1.265 -6.553 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.004 3.214 -9.936 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.551 4.573 -10.369 1.00 0.00 C ATOM 1118 C TYR A 73 -7.471 4.462 -11.437 1.00 0.00 C ATOM 1119 O TYR A 73 -7.013 5.467 -11.938 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.014 5.325 -9.134 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.197 5.970 -8.405 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -9.927 5.241 -7.491 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.555 7.283 -8.655 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -10.998 5.808 -6.836 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -10.627 7.851 -7.998 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.356 7.116 -7.085 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.429 7.679 -6.424 1.00 0.00 O ATOM 0 H TYR A 73 -8.269 2.618 -9.554 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.389 5.121 -10.801 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.489 4.638 -8.470 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.295 6.086 -9.437 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.657 4.216 -7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.992 7.866 -9.368 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.561 5.224 -6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.897 8.877 -8.199 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.543 8.607 -6.716 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.100 3.248 -11.754 1.00 0.00 N ATOM 1138 CA VAL A 74 -6.019 3.008 -12.761 1.00 0.00 C ATOM 1139 C VAL A 74 -6.508 2.024 -13.835 1.00 0.00 C ATOM 1140 O VAL A 74 -7.646 1.595 -13.815 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.773 2.445 -12.026 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.333 3.429 -10.896 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.065 1.035 -11.427 1.00 0.00 C ATOM 0 H VAL A 74 -7.504 2.402 -11.354 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.755 3.942 -13.257 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.965 2.344 -12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.458 3.028 -10.384 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.086 4.397 -11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.147 3.550 -10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.175 0.665 -10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.887 1.105 -10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.337 0.348 -12.229 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.616 1.710 -14.739 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.917 0.708 -15.805 1.00 0.00 C ATOM 1155 C GLU A 75 -4.617 0.006 -16.205 1.00 0.00 C ATOM 1156 O GLU A 75 -3.738 0.636 -16.760 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.521 1.433 -17.021 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.561 0.525 -17.716 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.756 0.949 -19.189 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.730 2.144 -19.451 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -7.924 0.039 -19.985 1.00 0.00 O ATOM 0 H GLU A 75 -4.679 2.111 -14.784 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.630 -0.031 -15.440 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.993 2.363 -16.703 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.732 1.700 -17.724 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.233 -0.513 -17.671 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.512 0.581 -17.187 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.526 -1.268 -15.924 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.369 -2.076 -16.416 1.00 0.00 C ATOM 1170 C TYR A 76 -3.117 -1.798 -17.909 1.00 0.00 C ATOM 1171 O TYR A 76 -4.052 -1.626 -18.669 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.686 -3.570 -16.194 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.758 -4.445 -17.051 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.482 -4.758 -16.628 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.201 -4.927 -18.268 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.664 -5.541 -17.413 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.385 -5.709 -19.051 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.112 -6.020 -18.629 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.301 -6.805 -19.421 1.00 0.00 O ATOM 0 H TYR A 76 -5.208 -1.787 -15.371 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.468 -1.803 -15.867 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.564 -3.822 -15.141 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.726 -3.770 -16.451 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.124 -4.388 -15.679 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.198 -4.687 -18.607 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.333 -5.782 -17.076 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.744 -6.080 -20.000 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.782 -7.051 -20.239 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.862 -1.766 -18.276 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.491 -1.541 -19.707 1.00 0.00 C ATOM 1191 C ILE A 77 -0.723 -2.742 -20.253 1.00 0.00 C ATOM 1192 O ILE A 77 -1.122 -3.309 -21.252 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.624 -0.245 -19.823 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.297 -0.033 -18.583 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.563 0.980 -19.949 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.471 0.895 -18.959 1.00 0.00 C ATOM 0 H ILE A 77 -1.072 -1.887 -17.642 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.400 -1.419 -20.296 1.00 0.00 H new ATOM 0 HB ILE A 77 0.012 -0.354 -20.702 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.275 0.402 -17.763 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.677 -0.992 -18.232 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.967 1.889 -20.030 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.184 0.873 -20.838 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.200 1.042 -19.067 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.112 1.041 -18.090 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.049 0.442 -19.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.082 1.858 -19.289 1.00 0.00 H new ATOM 1208 N GLY A 78 0.350 -3.101 -19.593 1.00 0.00 N ATOM 1209 CA GLY A 78 1.333 -4.034 -20.217 1.00 0.00 C ATOM 1210 C GLY A 78 2.121 -4.775 -19.151 1.00 0.00 C ATOM 1211 O GLY A 78 2.396 -4.256 -18.085 1.00 0.00 O ATOM 0 H GLY A 78 0.586 -2.788 -18.651 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.811 -4.749 -20.853 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.015 -3.476 -20.858 1.00 0.00 H new ATOM 1215 N ARG A 79 2.450 -5.986 -19.512 1.00 0.00 N ATOM 1216 CA ARG A 79 3.298 -6.861 -18.647 1.00 0.00 C ATOM 1217 C ARG A 79 4.494 -7.392 -19.449 1.00 0.00 C ATOM 1218 O ARG A 79 4.339 -7.927 -20.531 1.00 0.00 O ATOM 1219 CB ARG A 79 2.428 -8.033 -18.111 1.00 0.00 C ATOM 1220 CG ARG A 79 1.886 -8.930 -19.260 1.00 0.00 C ATOM 1221 CD ARG A 79 2.762 -10.188 -19.380 1.00 0.00 C ATOM 1222 NE ARG A 79 2.719 -10.663 -20.797 1.00 0.00 N ATOM 1223 CZ ARG A 79 2.231 -11.842 -21.084 1.00 0.00 C ATOM 1224 NH1 ARG A 79 0.939 -12.016 -21.054 1.00 0.00 N ATOM 1225 NH2 ARG A 79 3.051 -12.809 -21.391 1.00 0.00 N ATOM 0 H ARG A 79 2.160 -6.416 -20.390 1.00 0.00 H new ATOM 0 HA ARG A 79 3.685 -6.288 -17.804 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.020 -8.640 -17.426 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.591 -7.631 -17.539 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.852 -9.211 -19.060 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.891 -8.379 -20.200 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.788 -9.965 -19.086 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.401 -10.967 -18.708 1.00 0.00 H new ATOM 0 HE ARG A 79 3.072 -10.065 -21.544 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.325 -11.239 -20.809 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.542 -12.929 -21.275 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.057 -12.640 -21.405 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.686 -13.734 -21.617 1.00 0.00 H new ATOM 1239 N LYS A 80 5.663 -7.219 -18.886 1.00 0.00 N ATOM 1240 CA LYS A 80 6.896 -7.798 -19.505 1.00 0.00 C ATOM 1241 C LYS A 80 6.866 -9.330 -19.421 1.00 0.00 C ATOM 1242 O LYS A 80 6.152 -9.890 -18.612 1.00 0.00 O ATOM 1243 CB LYS A 80 8.130 -7.268 -18.762 1.00 0.00 C ATOM 1244 CG LYS A 80 8.218 -5.732 -18.876 1.00 0.00 C ATOM 1245 CD LYS A 80 8.945 -5.312 -20.179 1.00 0.00 C ATOM 1246 CE LYS A 80 10.455 -5.133 -19.918 1.00 0.00 C ATOM 1247 NZ LYS A 80 11.179 -4.997 -21.215 1.00 0.00 N ATOM 0 H LYS A 80 5.818 -6.700 -18.022 1.00 0.00 H new ATOM 0 HA LYS A 80 6.940 -7.505 -20.554 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.081 -7.557 -17.712 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.031 -7.720 -19.175 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.215 -5.305 -18.861 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.749 -5.330 -18.013 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.790 -6.067 -20.949 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.522 -4.381 -20.555 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.625 -4.250 -19.302 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.841 -5.988 -19.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.196 -4.877 -21.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.028 -5.852 -21.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.818 -4.168 -21.729 1.00 0.00 H new ATOM 1261 N LYS A 81 7.648 -9.955 -20.265 1.00 0.00 N ATOM 1262 CA LYS A 81 7.726 -11.445 -20.306 1.00 0.00 C ATOM 1263 C LYS A 81 8.632 -11.957 -19.167 1.00 0.00 C ATOM 1264 O LYS A 81 9.715 -12.462 -19.401 1.00 0.00 O ATOM 1265 CB LYS A 81 8.277 -11.840 -21.697 1.00 0.00 C ATOM 1266 CG LYS A 81 8.008 -13.333 -21.951 1.00 0.00 C ATOM 1267 CD LYS A 81 8.829 -13.820 -23.169 1.00 0.00 C ATOM 1268 CE LYS A 81 8.419 -15.272 -23.521 1.00 0.00 C ATOM 1269 NZ LYS A 81 7.596 -15.298 -24.766 1.00 0.00 N ATOM 0 H LYS A 81 8.248 -9.483 -20.941 1.00 0.00 H new ATOM 0 HA LYS A 81 6.745 -11.898 -20.159 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.803 -11.237 -22.472 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.347 -11.639 -21.746 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.273 -13.914 -21.068 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.945 -13.494 -22.131 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.656 -13.165 -24.023 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.895 -13.776 -22.944 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.310 -15.885 -23.655 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.854 -15.706 -22.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.331 -16.279 -24.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.736 -14.730 -24.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.147 -14.903 -25.555 1.00 0.00 H new ATOM 1283 N ILE A 82 8.150 -11.803 -17.956 1.00 0.00 N ATOM 1284 CA ILE A 82 8.901 -12.274 -16.748 1.00 0.00 C ATOM 1285 C ILE A 82 7.922 -12.889 -15.728 1.00 0.00 C ATOM 1286 O ILE A 82 8.335 -13.309 -14.665 1.00 0.00 O ATOM 1287 CB ILE A 82 9.659 -11.070 -16.091 1.00 0.00 C ATOM 1288 CG1 ILE A 82 10.147 -10.090 -17.195 1.00 0.00 C ATOM 1289 CG2 ILE A 82 10.877 -11.613 -15.275 1.00 0.00 C ATOM 1290 CD1 ILE A 82 11.024 -8.965 -16.611 1.00 0.00 C ATOM 0 H ILE A 82 7.253 -11.363 -17.751 1.00 0.00 H new ATOM 0 HA ILE A 82 9.624 -13.031 -17.052 1.00 0.00 H new ATOM 0 HB ILE A 82 8.987 -10.534 -15.421 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.714 -10.641 -17.946 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.286 -9.654 -17.702 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.408 -10.779 -14.816 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.522 -12.289 -14.498 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.552 -12.150 -15.942 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.346 -8.301 -17.413 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.449 -8.398 -15.879 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.899 -9.400 -16.127 1.00 0.00 H new ATOM 1302 N SER A 83 6.660 -12.922 -16.083 1.00 0.00 N ATOM 1303 CA SER A 83 5.643 -13.672 -15.278 1.00 0.00 C ATOM 1304 C SER A 83 5.497 -15.136 -15.768 1.00 0.00 C ATOM 1305 O SER A 83 5.565 -16.029 -14.945 1.00 0.00 O ATOM 1306 CB SER A 83 4.285 -12.860 -15.362 1.00 0.00 C ATOM 1307 OG SER A 83 3.205 -13.770 -15.556 1.00 0.00 O ATOM 0 H SER A 83 6.286 -12.454 -16.909 1.00 0.00 H new ATOM 0 HA SER A 83 5.956 -13.751 -14.237 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.133 -12.287 -14.447 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.325 -12.145 -16.184 1.00 0.00 H new ATOM 0 HG SER A 83 2.402 -13.424 -15.113 1.00 0.00 H new ATOM 1313 N PRO A 84 5.309 -15.370 -17.052 1.00 0.00 N ATOM 1314 CA PRO A 84 5.046 -16.748 -17.551 1.00 0.00 C ATOM 1315 C PRO A 84 6.284 -17.649 -17.381 1.00 0.00 C ATOM 1316 O PRO A 84 6.070 -18.794 -17.020 1.00 0.00 O ATOM 1317 CB PRO A 84 4.649 -16.599 -19.024 1.00 0.00 C ATOM 1318 CG PRO A 84 4.814 -15.098 -19.392 1.00 0.00 C ATOM 1319 CD PRO A 84 5.330 -14.350 -18.140 1.00 0.00 C ATOM 1320 OXT PRO A 84 7.366 -17.138 -17.619 1.00 0.00 O ATOM 0 HA PRO A 84 4.251 -17.231 -16.983 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.279 -17.223 -19.658 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.620 -16.923 -19.180 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.515 -14.984 -20.219 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.862 -14.680 -19.720 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.336 -13.961 -18.298 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.694 -13.499 -17.897 1.00 0.00 H new TER 1328 PRO A 84